- InChI
- InChI=1S/C12H12F5NO/c1-2-3-4-5-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h2-5H2,1H3,(H,18,19)
- InChI Key
- COYUSQTUAZYIPZ-UHFFFAOYSA-N
- Formula
- C12H12F5NO
- SMILES
-
CCCCCNC(=O)c1c(F)c(F)c(F)c(F)c
1F - Molecular Weight1
- 281.22
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -899.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1151.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.15 | Crippen Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 176.580 | ml/mol | McGowan Calculated Property |
| Pc | 1952.68 | kPa | Joback Calculated Property |
| Inp | [1607.00; 1607.00] |
|
|
| Inp | 1607.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Tboil | 625.93 | K | Joback Calculated Property |
| Tc | 799.45 | K | Joback Calculated Property |
| Tfus | 419.56 | K | Joback Calculated Property |
| Vc | 0.731 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.67; 517.87] | J/mol×K | [625.93; 799.45] |
|
| Cp,gas | 457.67 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 468.99 | J/mol×K | 654.85 | Joback Calculated Property |
| Cp,gas | 479.78 | J/mol×K | 683.77 | Joback Calculated Property |
| Cp,gas | 490.06 | J/mol×K | 712.69 | Joback Calculated Property |
| Cp,gas | 499.83 | J/mol×K | 741.61 | Joback Calculated Property |
| Cp,gas | 509.09 | J/mol×K | 770.53 | Joback Calculated Property |
| Cp,gas | 517.87 | J/mol×K | 799.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-pentyl-.
Sources
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